CID 114487

13282-82-1

Structural Information

Molecular Formula
C10H18O4
SMILES
CCCCOCC(COC(=O)C=C)O
InChI
InChI=1S/C10H18O4/c1-3-5-6-13-7-9(11)8-14-10(12)4-2/h4,9,11H,2-3,5-8H2,1H3
InChIKey
AZNUOOZUBQUQJV-UHFFFAOYSA-N
Compound name
(3-butoxy-2-hydroxypropyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

435
Patents

202.12051 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 147.4
[M+Na]+ 225.109728 152.7
[M-H]- 201.113234 145.7
[M+NH4]+ 220.154333 165.8
[M+K]+ 241.083668 152.1
[M+H-H2O]+ 185.117770 142.2
[M+HCOO]- 247.118711 167.8
[M+CH3COO]- 261.134361 183.7
[M+Na-2H]- 223.095176 149.4
[M]+ 202.11996142 151.4
[M]- 202.12105858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe